(3S)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(3-methylphenyl)piperidin-1-ium

Systemtic Name: (3S)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(3-methylphenyl)piperidin-1-ium Openeye Name: (3S)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(m-tolyl)piperidin-1-ium CAS Name: (3S)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)-4-imidazolyl]methyl]-3-(3-methylphenyl)piperidin-1-ium IUPAC Name: (3S)-1-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(3-methylphenyl)piperidin-1-ium Traditional Name: (3S)-1-[[2-esyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(m-tolyl)piperidin-1-ium Formula: C21H32N3O3S+ MolecularWeight: 406.56208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCCC(C2)C3=CC(=CC=C3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCC[C@H](C2)C3=CC(=CC=C3)C

InChI

InChI=1S/C21H31N3O3S/c1-4-28(25,26)21-22-14-20(24(21)11-12-27-3)16-23-10-6-9-19(15-23)18-8-5-7-17(2)13-18/h5,7-8,13-14,19H,4,6,9-12,15-16H2,1-3H3/p+1/t19-/m1/s1